N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C18H17N3O2S — CID 6499073

IUPACN-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRBFWKVBEYKVKJE-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.23
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 6499073) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID6499073
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRBFWKVBEYKVKJE-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 6499073) is N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is Cc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is RBFWKVBEYKVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-5-3-6-14(13(12)2)19-17(22)11-21-18(23)9-8-15(20-21)16-7-4-10-24-16/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 6499073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).